4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one

C13H12N2O2 — CID 105485427

IUPAC4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCC(=O)c1cccc(-c2cc(C)[nH]c(=O)n2)c1
InChIInChI=1S/C13H12N2O2/c1-8-6-12(15-13(17)14-8)11-5-3-4-10(7-11)9(2)16/h3-7H,1-2H3,(H,14,15,17)
InChIKeyAILASTMQTWDCMN-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.95
Rot. Bonds2

About 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one

4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 105485427) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID105485427
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCC(=O)c1cccc(-c2cc(C)[nH]c(=O)n2)c1
InChIInChI=1S/C13H12N2O2/c1-8-6-12(15-13(17)14-8)11-5-3-4-10(7-11)9(2)16/h3-7H,1-2H3,(H,14,15,17)
InChIKeyAILASTMQTWDCMN-UHFFFAOYSA-N
XLogP1.95
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzoic acid
CID 105487597
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
CID 103922854
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894741
1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone
CID 91491242
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
CID 115022186
4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 106520134
5-(3-acetylphenyl)-1H-pyrimidin-6-one
CID 122200465
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
6-methyl-4-quinolin-8-yl-1H-pyrimidin-2-one
CID 106519681
1-(3-acridin-9-ylphenyl)ethanone
CID 18966030

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one (CID 105485427) is 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one is CC(=O)c1cccc(-c2cc(C)[nH]c(=O)n2)c1.
What is the InChIKey of 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is AILASTMQTWDCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8-6-12(15-13(17)14-8)11-5-3-4-10(7-11)9(2)16/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one?
4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 228.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 105485427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).